N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine

C14H30N2O2S2 — CID 66384755

IUPACN-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
SMILESCC(CCCNC(C)(C)C)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C14H30N2O2S2/c1-12(7-6-8-15-14(2,3)4)16-9-10-19-11-13(16)20(5,17)18/h12-13,15H,6-11H2,1-5H3
InChIKeyPEQZAVZKORGZRP-UHFFFAOYSA-N
MW322.54 g/mol
LogP1.96
Rot. Bonds6

About N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine

N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine (PubChem CID 66384755) has the molecular formula C14H30N2O2S2 and a molecular weight of 322.54 g/mol. Its IUPAC name is N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
PubChem CID66384755
Molecular FormulaC14H30N2O2S2
Molecular Weight322.54 g/mol
Exact Mass322.17
IUPAC NameN-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
SMILESCC(CCCNC(C)(C)C)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C14H30N2O2S2/c1-12(7-6-8-15-14(2,3)4)16-9-10-19-11-13(16)20(5,17)18/h12-13,15H,6-11H2,1-5H3
InChIKeyPEQZAVZKORGZRP-UHFFFAOYSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66381861
N-[4-(3-methylsulfonylthiomorpholin-4-yl)pentyl]cyclopropanamine
CID 66384759
3-(3-methylsulfonylthiomorpholin-4-yl)-N-propan-2-ylbutan-1-amine
CID 66382063
N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine
CID 66384183
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 66376758
4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide
CID 66381881
4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine
CID 66382459
4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66382570
tert-butyl N-[4-amino-3-(3-methylsulfonylthiomorpholin-4-yl)butyl]carbamate
CID 102730289
methyl 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)butanoate
CID 79414967
3,3-dimethyl-4-(3-methylsulfonylthiomorpholin-4-yl)-N-propylbutan-2-amine
CID 66454113
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylpentan-1-amine
CID 102728546

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine (CID 66384755) is N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine is CC(CCCNC(C)(C)C)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine?
The InChIKey is PEQZAVZKORGZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S2/c1-12(7-6-8-15-14(2,3)4)16-9-10-19-11-13(16)20(5,17)18/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine?
N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine has a molecular weight of 322.54 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine is sourced from PubChem (CID 66384755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).