N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine

C12H25NOS — CID 115892015

IUPACN-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCC1(SC)CCOCC1
InChIInChI=1S/C12H25NOS/c1-4-11(5-2)13-10-12(15-3)6-8-14-9-7-12/h11,13H,4-10H2,1-3H3
InChIKeyZCXVKTFTVPRSAQ-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.68
Rot. Bonds6

About N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine

N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine (PubChem CID 115892015) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine
PubChem CID115892015
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine
SMILESCCC(CC)NCC1(SC)CCOCC1
InChIInChI=1S/C12H25NOS/c1-4-11(5-2)13-10-12(15-3)6-8-14-9-7-12/h11,13H,4-10H2,1-3H3
InChIKeyZCXVKTFTVPRSAQ-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine
CID 107269730
N-[(4-methylsulfanyloxan-4-yl)methyl]hexan-2-amine
CID 115892010
1-butan-2-yl-2-methyl-3-[(4-methylsulfanyloxan-4-yl)methyl]guanidine
CID 111492012
2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine
CID 107270055
4-[(pentan-3-ylamino)methyl]oxane-4-carboxamide
CID 115709382
(1S)-1-(5-bromofuran-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]ethanamine
CID 99837811
(2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
CID 119336130
N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine
CID 115689599
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride
CID 119336131
1-(azepan-1-yl)-3-[(4-methylsulfanyloxan-4-yl)methylamino]butan-1-one
CID 84596043
N-[(4-methyloxan-4-yl)methyl]heptan-4-amine
CID 115893009
2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 107266231

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine?
The IUPAC name of N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine (CID 115892015) is N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine is CCC(CC)NCC1(SC)CCOCC1.
What is the InChIKey of N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine?
The InChIKey is ZCXVKTFTVPRSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-4-11(5-2)13-10-12(15-3)6-8-14-9-7-12/h11,13H,4-10H2,1-3H3.
What are the key properties of N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine?
N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine has a molecular weight of 231.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine is sourced from PubChem (CID 115892015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).