2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol

C14H18ClNOS2 — CID 79254049

IUPAC2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C14H18ClNOS2/c1-9(2)10(8-17)16-14(11-4-3-7-18-11)12-5-6-13(15)19-12/h3-7,9-10,14,16-17H,8H2,1-2H3
InChIKeyBDNRALHJTAMMER-UHFFFAOYSA-N
MW315.89 g/mol
LogP4.16
Rot. Bonds6

About 2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol

2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol (PubChem CID 79254049) has the molecular formula C14H18ClNOS2 and a molecular weight of 315.89 g/mol. Its IUPAC name is 2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
PubChem CID79254049
Molecular FormulaC14H18ClNOS2
Molecular Weight315.89 g/mol
Exact Mass315.05
IUPAC Name2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C14H18ClNOS2/c1-9(2)10(8-17)16-14(11-4-3-7-18-11)12-5-6-13(15)19-12/h3-7,9-10,14,16-17H,8H2,1-2H3
InChIKeyBDNRALHJTAMMER-UHFFFAOYSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine
CID 113466404
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine
CID 106226083
(1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine
CID 81391932
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 82286142
4-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]phenol
CID 43790408
(2S)-2-(1,2-dithiophen-2-ylethylamino)-3-methylbutan-1-ol
CID 79254175
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine
CID 79091085
(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 43234424

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol (CID 79254049) is 2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol is CC(C)C(CO)NC(c1cccs1)c1ccc(Cl)s1.
What is the InChIKey of 2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol?
The InChIKey is BDNRALHJTAMMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS2/c1-9(2)10(8-17)16-14(11-4-3-7-18-11)12-5-6-13(15)19-12/h3-7,9-10,14,16-17H,8H2,1-2H3.
What are the key properties of 2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol?
2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol has a molecular weight of 315.89 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79254049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).