(3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine

C8H17NOS — CID 7448516

IUPAC(3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine
SMILESCOC[C@@H](C)N[C@H]1CCSC1
InChIInChI=1S/C8H17NOS/c1-7(5-10-2)9-8-3-4-11-6-8/h7-9H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyKTZJJEXSRMYNJO-SFYZADRCSA-N
MW175.30 g/mol
LogP1.12
Rot. Bonds4

About (3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine

(3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine (PubChem CID 7448516) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine
PubChem CID7448516
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine
SMILESCOC[C@@H](C)N[C@H]1CCSC1
InChIInChI=1S/C8H17NOS/c1-7(5-10-2)9-8-3-4-11-6-8/h7-9H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyKTZJJEXSRMYNJO-SFYZADRCSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-Methoxypropyl)tetrahydrothiophen-3-amine
CID 2849476
3-((2-Methoxyethyl)amino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16248004
(2-Methoxy-1-methylethyl)tetrahydro-3-thienylamine
CID 2849473
N-(2-methoxyethyl)thian-3-amine
CID 62873232
N-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 63827121
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 79950438
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 102671456
N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine
CID 103062932
N-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine
CID 103082627
N-[2-(2,2-difluoroethoxy)ethyl]-2-methylthiolan-3-amine
CID 103083068
N-[2-(2,2-difluoroethoxy)ethyl]-5-methylthiolan-3-amine
CID 105905425
4-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
CID 116127278

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine?
The IUPAC name of (3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine (CID 7448516) is (3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine.
What is the SMILES notation for (3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine?
The canonical SMILES for (3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine is COC[C@@H](C)N[C@H]1CCSC1.
What is the InChIKey of (3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine?
The InChIKey is KTZJJEXSRMYNJO-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(5-10-2)9-8-3-4-11-6-8/h7-9H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine?
(3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine has a molecular weight of 175.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-1-methoxypropan-2-yl]thiolan-3-amine is sourced from PubChem (CID 7448516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).