4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol

C13H27NOS — CID 64807799

IUPAC4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)SCC1CCCC1
InChIInChI=1S/C13H27NOS/c1-11(8-13(2,10-15)14-3)16-9-12-6-4-5-7-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyNTYQUKTXSYRXKX-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.66
Rot. Bonds7

About 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol

4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64807799) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64807799
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)SCC1CCCC1
InChIInChI=1S/C13H27NOS/c1-11(8-13(2,10-15)14-3)16-9-12-6-4-5-7-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyNTYQUKTXSYRXKX-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64807801
ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
CID 64704550
2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile
CID 64711370
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 107402528
ethyl 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64704947
2-methyl-2-(methylamino)-4-(2-methyloxolan-3-yl)sulfanylpentan-1-ol
CID 107764612
5-(cyclopentylmethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64806135
4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64806975
2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63119998
6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64806770
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentan-1-ol
CID 64789181
(4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol
CID 88673624

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol (CID 64807799) is 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CC(C)SCC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is NTYQUKTXSYRXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-11(8-13(2,10-15)14-3)16-9-12-6-4-5-7-12/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol?
4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 245.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 64807799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).