1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine

C11H24N2S — CID 112555920

IUPAC1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine
SMILESCN(CC(N)C(C)(C)C)C1CCSC1
InChIInChI=1S/C11H24N2S/c1-11(2,3)10(12)7-13(4)9-5-6-14-8-9/h9-10H,5-8,12H2,1-4H3
InChIKeyQBVJGSAKQJKQGW-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.80
Rot. Bonds3

About 1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine

1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine (PubChem CID 112555920) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine
PubChem CID112555920
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine
SMILESCN(CC(N)C(C)(C)C)C1CCSC1
InChIInChI=1S/C11H24N2S/c1-11(2,3)10(12)7-13(4)9-5-6-14-8-9/h9-10H,5-8,12H2,1-4H3
InChIKeyQBVJGSAKQJKQGW-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine
CID 66454701
2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol
CID 62271283
3-hydroxy-4-[methyl(thiolan-3-yl)amino]butanoic acid
CID 82776779
3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one
CID 62051187
N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine
CID 43296813
N-methyl-N-prop-2-ynylthiolan-3-amine
CID 61343229
3,3-dimethyl-1-(thian-4-yl)butan-2-amine
CID 105145988
N-(3-chloropropyl)-N-methylthiolan-3-amine
CID 61289342
2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol
CID 62619338
N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 43296812
ethyl 2,2-dimethyl-4-[methyl(thiolan-3-yl)amino]-3-oxobutanoate
CID 113369715
(2R)-2-amino-N-methyl-N-[(3S)-thiolan-3-yl]propanamide
CID 93279074

Frequently Asked Questions

What is the IUPAC name of 1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine?
The IUPAC name of 1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine (CID 112555920) is 1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine?
The canonical SMILES for 1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine is CN(CC(N)C(C)(C)C)C1CCSC1.
What is the InChIKey of 1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine?
The InChIKey is QBVJGSAKQJKQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-11(2,3)10(12)7-13(4)9-5-6-14-8-9/h9-10H,5-8,12H2,1-4H3.
What are the key properties of 1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine?
1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine is sourced from PubChem (CID 112555920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).