N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine

C14H29N3S — CID 163173590

IUPACN,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(CC1CCCS1)C1CCCCN1
InChIInChI=1S/C14H29N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h13-15H,3-12H2,1-2H3
InChIKeyHNQLBGOJLCRFAK-UHFFFAOYSA-N
MW271.47 g/mol
LogP1.85
Rot. Bonds6

About N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine

N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 163173590) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID163173590
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC NameN,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(CC1CCCS1)C1CCCCN1
InChIInChI=1S/C14H29N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h13-15H,3-12H2,1-2H3
InChIKeyHNQLBGOJLCRFAK-UHFFFAOYSA-N
XLogP1.85
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethylazepan-2-amine
CID 174564826
2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
CID 140622055
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
CID 106631586
2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
CID 135208172
ethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine
CID 163258642
N,N-dimethyl-2-[(2S)-piperidin-2-yl]ethanamine
CID 7019358
N-[2-(dimethylamino)ethyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55227545
N'-ethyl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine
CID 103102318
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192
N,N-dimethylpyrrolidin-2-amine
CID 18761762
(2R)-2-ethylthiolane
CID 643409
(2S)-2-(cyclohexylmethyl)thiolane
CID 132938767

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine (CID 163173590) is N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine is CN(C)CCN(CC1CCCS1)C1CCCCN1.
What is the InChIKey of N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is HNQLBGOJLCRFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h13-15H,3-12H2,1-2H3.
What are the key properties of N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine?
N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 271.47 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 163173590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).