4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine

C14H23NS2 — CID 79948426

IUPAC4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine
SMILESCC(Cc1cccs1)NC1CSCCC1(C)C
InChIInChI=1S/C14H23NS2/c1-11(9-12-5-4-7-17-12)15-13-10-16-8-6-14(13,2)3/h4-5,7,11,13,15H,6,8-10H2,1-3H3
InChIKeyAZJIQTSXBOKSTB-UHFFFAOYSA-N
MW269.48 g/mol
LogP3.80
Rot. Bonds4

About 4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine

4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine (PubChem CID 79948426) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is 4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine
PubChem CID79948426
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC Name4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine
SMILESCC(Cc1cccs1)NC1CSCCC1(C)C
InChIInChI=1S/C14H23NS2/c1-11(9-12-5-4-7-17-12)15-13-10-16-8-6-14(13,2)3/h4-5,7,11,13,15H,6,8-10H2,1-3H3
InChIKeyAZJIQTSXBOKSTB-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,6-difluorophenyl)propan-2-yl]-4,4-dimethylthian-3-amine
CID 79948608
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine
CID 82821062
1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine
CID 115916040
2-[(4,4-dimethylthian-3-yl)amino]-3-phenylpropan-1-ol
CID 79948114
4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
CID 103904586
N-[1-(2-bromophenyl)ethyl]-4,4-dimethylthian-3-amine
CID 79951727
3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 63291448
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylthian-3-amine
CID 81396655
N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine
CID 79951815
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
1-phenyl-3-(1-thiophen-2-ylpropan-2-ylamino)cyclobutane-1-carbonitrile
CID 64904212

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine?
The IUPAC name of 4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine (CID 79948426) is 4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine.
What is the SMILES notation for 4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine?
The canonical SMILES for 4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine is CC(Cc1cccs1)NC1CSCCC1(C)C.
What is the InChIKey of 4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine?
The InChIKey is AZJIQTSXBOKSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS2/c1-11(9-12-5-4-7-17-12)15-13-10-16-8-6-14(13,2)3/h4-5,7,11,13,15H,6,8-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine?
4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine has a molecular weight of 269.48 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine is sourced from PubChem (CID 79948426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).