N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine

C17H28N4OS — CID 97341942

IUPACN,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine
SMILESCN(C)c1ccncc1CNC[C@@]1(N2CCOCC2)CCSC1
InChIInChI=1S/C17H28N4OS/c1-20(2)16-3-5-18-11-15(16)12-19-13-17(4-10-23-14-17)21-6-8-22-9-7-21/h3,5,11,19H,4,6-10,12-14H2,1-2H3/t17-/m0/s1
InChIKeyMECDISKPZDGMFA-KRWDZBQOSA-N
MW336.50 g/mol
LogP1.45
Rot. Bonds6

About N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine

N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine (PubChem CID 97341942) has the molecular formula C17H28N4OS and a molecular weight of 336.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine
PubChem CID97341942
Molecular FormulaC17H28N4OS
Molecular Weight336.50 g/mol
Exact Mass336.20
IUPAC NameN,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine
SMILESCN(C)c1ccncc1CNC[C@@]1(N2CCOCC2)CCSC1
InChIInChI=1S/C17H28N4OS/c1-20(2)16-3-5-18-11-15(16)12-19-13-17(4-10-23-14-17)21-6-8-22-9-7-21/h3,5,11,19H,4,6-10,12-14H2,1-2H3/t17-/m0/s1
InChIKeyMECDISKPZDGMFA-KRWDZBQOSA-N
XLogP1.45
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine with MolForge

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Related Compounds

1-(2,3-dimethylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]methanamine
CID 86843080
3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine
CID 71977840
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 94202398
3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]benzonitrile
CID 95582569
4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine
CID 78871065
(Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine
CID 119108239
2-(dimethylamino)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-5-nitrobenzamide
CID 36532677
1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]methanamine
CID 86884978
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide
CID 39155566
4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 167932118
3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine
CID 104624549

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine?
The IUPAC name of N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine (CID 97341942) is N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine.
What is the SMILES notation for N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine?
The canonical SMILES for N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine is CN(C)c1ccncc1CNC[C@@]1(N2CCOCC2)CCSC1.
What is the InChIKey of N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine?
The InChIKey is MECDISKPZDGMFA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-20(2)16-3-5-18-11-15(16)12-19-13-17(4-10-23-14-17)21-6-8-22-9-7-21/h3,5,11,19H,4,6-10,12-14H2,1-2H3/t17-/m0/s1.
What are the key properties of N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine?
N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine has a molecular weight of 336.50 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine is sourced from PubChem (CID 97341942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).