4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol

C10H21NOS — CID 135393428

IUPAC4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol
SMILESCC(C)(CCCO)CNC1CSC1
InChIInChI=1S/C10H21NOS/c1-10(2,4-3-5-12)8-11-9-6-13-7-9/h9,11-12H,3-8H2,1-2H3
InChIKeyWWJBWIBJSMHBKS-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.49
Rot. Bonds6

About 4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol

4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol (PubChem CID 135393428) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol
PubChem CID135393428
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol
SMILESCC(C)(CCCO)CNC1CSC1
InChIInChI=1S/C10H21NOS/c1-10(2,4-3-5-12)8-11-9-6-13-7-9/h9,11-12H,3-8H2,1-2H3
InChIKeyWWJBWIBJSMHBKS-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol
CID 106144566
(4R)-5-(1,4-dithiepan-6-ylamino)-4-methylpentane-1,4-diol
CID 95196944
4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol
CID 106144327
3,3-dimethyl-4-(thian-3-ylamino)butan-1-ol
CID 115882204
4-(thietan-3-ylamino)butan-1-ol
CID 126989809
5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
CID 106144752
4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 102609773
4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide
CID 103898924
2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol
CID 106147285
4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol
CID 106147150
5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
CID 113368941
N-(5-methoxy-4,4-dimethylpentyl)thietan-3-amine
CID 135393432

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol (CID 135393428) is 4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol is CC(C)(CCCO)CNC1CSC1.
What is the InChIKey of 4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol?
The InChIKey is WWJBWIBJSMHBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-10(2,4-3-5-12)8-11-9-6-13-7-9/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol?
4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol is sourced from PubChem (CID 135393428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).